CID 2794679

{3-[(4-methylpiperidin-1-yl)methyl]phenyl}methanamine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC1CCN(CC1)CC2=CC=CC(=C2)CN
InChI
InChI=1S/C14H22N2/c1-12-5-7-16(8-6-12)11-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKey
ZULQRDYUOOXCFV-UHFFFAOYSA-N
Compound name
[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

218.1783 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 153.1
[M+Na]+ 241.16752 157.7
[M-H]- 217.17102 157.0
[M+NH4]+ 236.21212 169.6
[M+K]+ 257.14146 153.8
[M+H-H2O]+ 201.17556 144.9
[M+HCOO]- 263.17650 172.3
[M+CH3COO]- 277.19215 192.1
[M+Na-2H]- 239.15297 156.1
[M]+ 218.17775 147.5
[M]- 218.17885 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe